2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone

C20H21FN2O — CID 172904104

IUPAC2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(Cc2cccc(F)c2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H21FN2O/c21-18-6-3-4-15(12-18)13-22-10-8-17(14-22)20(24)23-11-9-16-5-1-2-7-19(16)23/h1-7,12,17H,8-11,13-14H2
InChIKeyJGHOBHDBXMXPQQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.24
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 172904104) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
PubChem CID172904104
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(Cc2cccc(F)c2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H21FN2O/c21-18-6-3-4-15(12-18)13-22-10-8-17(14-22)20(24)23-11-9-16-5-1-2-7-19(16)23/h1-7,12,17H,8-11,13-14H2
InChIKeyJGHOBHDBXMXPQQ-UHFFFAOYSA-N
XLogP3.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902775
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891645
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
CID 172901645
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone (CID 172904104) is 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone is O=C(C1CCN(Cc2cccc(F)c2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is JGHOBHDBXMXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-6-3-4-15(12-18)13-22-10-8-17(14-22)20(24)23-11-9-16-5-1-2-7-19(16)23/h1-7,12,17H,8-11,13-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 324.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172904104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).